| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 1629-58-9 |
| ECHA EC Number: | 216-624-3 |
| FDA UNII: | R0053Y1AZ7 |
| CoE Number: | 11179 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | ethyl vinyl ketone |
| InChI : | InChI=1/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3 |
| Std.InChI: | InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3 |
| InChIKey : | JLIDVCMBCGBIEY-UHFFFAOYAB |
| Std.InChIKey: | JLIDVCMBCGBIEY-UHFFFAOYSA-N |
| SMILES : | CCC(=O)C=C |
| MDL: | MFCD00009316 |
| Molar Refractivity : | 24.96 ± 0.3 cm3 (est) |
| Parachor : | 225.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.398 ± 0.02 (est) |
| Surface Tension : | 22.5 ± 3.0 dyne/cm (est) |
| Density : | 0.814 ± 0.06 g/cm3 (est) |
| Polarizability : | 9.89 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1147 1-penten-3-one |
| DG SANTE Food Flavourings: | 07.102 pent-1-en-3-one |
| FEMA Number: | 3382 1-penten-3-one |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1629-58-9 ; 1-PENTEN-3-ONE |
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.84200 to 0.84800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.006 to 7.056 |
| Refractive Index: | 1.41700 to 1.42200 @ 20.00 °C. |
| Boiling Point: | 38.00 °C. @ 60.00 mm Hg |
| Boiling Point: | 68.00 to 70.00 °C. @ 200.00 mm Hg |
| Vapor Pressure: | 31.087999 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 2.8 ( Air = 1 ) |
| Flash Point: | 20.00 °F. TCC ( -6.67 °C. ) |
| logP (o/w): | 0.652 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.19e+004 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| T - Toxic. | |
| R 11 - Highly flammable. R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R 34 - Causes burns. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| intravenous-mouse LD50 56 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00948 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.60 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/day) | ||
| Structure Class: | II | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 8.00000 | |
| beverages(nonalcoholic): | - | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.01000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.00000 | |
| fruit ices: | - | 5.00000 | |
| gelatins / puddings: | - | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 8.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | 5.00000 | |
| meat products: | - | - | |
| milk products: | - | 0.00500 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 3.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 2.00000 | 10.00000 | |
| Confectionery (05.0): | 4.00000 | 20.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 10.00000 | |
| Bakery wares (07.0): | 5.00000 | 25.00000 | |
| Meat and meat products, including poultry and game (08.0): | 1.00000 | 5.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 | |
| Eggs and egg products (10.0): | 1.00000 | 5.00000 | |
| Sweeteners, including honey (11.0): | 1.00000 | 5.00000 | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 3.00000 | 15.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 10.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 20.00000 | |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 2.00000 | 10.00000 | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Scientific Opinion on Flavouring Group Evaluation 205 (FGE.205): Consideration of genotoxicity data on representatives for 13 a,�-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 by EFSA View page or View pdf |
| Scientific opinion of Flavouring Group Evaluation 205 Revision 1 (FGE.205Rev1): consideration of genotoxicity data on representatives for 13 a,�-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1629-58-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :15394 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3286 |
| WGK Germany:3 |
| pent-1-en-3-one |
| Chemidplus:0001629589 |
| RTECS:SB3800000 for cas# 1629-58-9 |
| pent-1-en-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1629-58-9 |
| Pubchem (cid): | 15394 |
| Pubchem (sid): | 134979687 |
| Flavornet: | 1629-58-9 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31607 |
| FooDB: | FDB008243 |
| Export Tariff Code: | 2914.19.9090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| banana fruit Search Trop Picture | |
| beef Search PMC Picture | |
| butter Search PMC Picture | |
| chicken cooked chicken Search PMC Picture | |
| chive Search Trop Picture | |
| clam Search PMC Picture | |
| fish Search PMC Picture | |
| grape Search Trop Picture | |
| grapefruit juice Search Trop Picture | |
| kiwi fruit Search Trop Picture | |
| milk Search PMC Picture | |
| orange fruit Search Trop Picture | |
| peach fruit Search Trop Picture | |
| potato fried potato Search Trop Picture | |
| soybean seed Search Trop Picture | |
| strawberry wild strawberry fruit Search Trop Picture | |
| tea black tea Search Trop Picture | |
| tomato Search Trop Picture |
| ethyl vinyl ketone natural 1% in ethyl alcohol | |
| ethyl vinyl ketone natural 5% in ethyl alcohol | |
| ethylvinylketone | |
| ketone, ethyl vinyl | |
| pent-1-en-3-one | |
| 1- | penten-3-one |
| 1- | penten-3-one 10% in OT |
| 1- | penten-3-one natural |
| pentenone-1,3 natural 1% triacetin | |
| pentenone-1,3 natural, 1% al |
| None found yet. Try the PubMed Search. |
